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5-Methyl-1-hexyn-3-ol - >98.0%(GC), high purity , CAS No.61996-79-0

COA

Grade & Purity:

≥98%(GC)

Cas Number: 61996-79-0
Molecular Weight: 112.17
MDL number: MFCD00041606
PubChem CID: 143856
PubChem SID: 504757267

In stock

Item Number

M157950

Grouped product items
SKU	Size	Availability	Price
M157950-1g	1g	3	$24.90
M157950-5g	5g	3	$73.90
M157950-25g	25g	3	$269.90

View related series

alcohol (850) Oxygenated compounds (806)

Basic Description

Synonyms	AKOS009156596 \| SCHEMBL487461 \| ETHYL2-[(ANILINOCARBOTHIOYL)AMINO]ACETATE \| FT-0620588 \| D91415 \| M0961 \| AS-77602 \| EN300-1250317 \| 5-methyl-hex-1-yn-3-ol \| 5-methylhex-1-yn-3-ol \| 5-Methyl-1-hexyn-3-ol \| MFCD00041606 \| DTXSID90977535 \| 5-Methyl-1-hexyn-
Specifications & Purity	≥98%(GC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Secondary alcohols
Alternative Parents	Acetylides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - Acetylide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504757267
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757267
IUPAC Name	5-methylhex-1-yn-3-ol
INCHI	InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h1,6-8H,5H2,2-3H3
InChIKey	NTNUBJHPRAMQPC-UHFFFAOYSA-N
Smiles	CC(C)CC(C#C)O
Isomeric SMILES	CC(C)CC(C#C)O
WGK Germany	3
Molecular Weight	112.17
Reaxy-Rn	1741083
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741083&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
H2215168	Certificate of Analysis	Aug 20, 2022	M157950
H2215167	Certificate of Analysis	Aug 20, 2022	M157950
H2215169	Certificate of Analysis	Aug 20, 2022	M157950

Chemical and Physical Properties

Refractive Index	1.44
Flash Point(°F)	127.4 °F
Flash Point(°C)	53°C(lit.)
Boil Point(°C)	156°C(lit.)
Molecular Weight	112.170 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	112.089 Da
Monoisotopic Mass	112.089 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	96.200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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